HRID1561688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6346

Methylene iodide

CH2I2

HCID8028

Tetrahydrofuran

C4H8O

HCID23994

Zinc

HCID114942

Titanium(4+)

Ti+4

结构：CC(C)(C)OC(=O)NC1CN(C(=O)OCc2ccccc2)CC1C=O

HCID178452919

未命名化合物

PRODUCTS

生成物

结构：C=CC1CN(C(=O)OCc2ccccc2)CC1NC(=O)OC(C)(C)C

HCID178437168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d13d2b1c2df34eceb6b4321be7c81c09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH:16]([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH:17]([CH:19]=[O:20])[CH2:18]1.[CH3:30][CH2:31][O:32][CH2:33][CH3:34].[Cl-:40].[Cl-:41].[Cl-:42].[Cl-:43].[ClH:29].[I:1][CH2:2][I:3].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[Ti+4:44].[Zn:45]>>[CH2:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH:16]([NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH:17]([CH:19]=[CH2:30])[CH2:18]1